BWIE23 -OEChem-04022106133D 51 53 0 1 0 0 0 0 0999 V2000 3.5219 -3.0519 -2.3961 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.9966 1.1382 -0.9109 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.7341 2.5245 -0.5399 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7770 0.8774 -2.1157 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4707 -1.4091 -0.7941 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6282 0.4461 -1.4117 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7495 0.3372 0.4251 N 0 0 2 0 0 0 0 0 0 0 0 0 4.2389 -0.0615 0.1001 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0155 1.6615 1.0343 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5890 3.1382 -0.7826 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2749 3.9619 1.3224 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2188 0.4906 0.5774 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0483 0.3769 1.7335 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4644 0.3153 -1.0653 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0725 -0.7552 1.8911 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5559 1.9654 0.7159 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6502 0.7797 -0.3672 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3565 -0.8055 -1.8853 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8858 0.1220 -0.4865 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8659 -0.1185 -0.6405 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9990 -1.0131 -1.3157 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8663 -1.4670 -2.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0635 -0.5782 2.6711 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3177 -1.9660 1.2556 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0329 0.5437 0.1887 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2387 -1.6542 -1.4209 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9691 -1.6288 2.8177 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4121 -3.0167 1.4023 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7313 -2.8480 2.1834 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3096 -1.1447 -0.7027 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2815 2.8400 0.5274 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5888 -0.0611 1.4492 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7595 0.3135 2.5661 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5432 1.3440 1.8446 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3906 2.5309 -0.2071 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9814 2.4424 1.5166 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6184 2.0823 0.9596 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5550 1.6538 0.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2151 -1.1881 -2.4303 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8994 -2.3380 -2.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2583 0.3673 3.1694 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2066 -2.1352 0.6566 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8604 -1.4969 3.4241 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5981 -3.9670 0.9104 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2937 -1.6024 -0.7472 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4371 -3.6657 2.2964 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8714 -1.8221 -1.5885 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6380 2.4233 -1.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7784 4.0918 -1.0718 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4781 4.8808 0.9445 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0644 3.9007 2.3126 H 0 0 0 0 0 0 0 0 0 0 0 0 1 26 1 0 0 0 0 2 3 2 0 0 0 0 2 4 2 0 0 0 0 2 7 1 0 0 0 0 2 14 1 0 0 0 0 5 20 1 0 0 0 0 5 47 1 0 0 0 0 6 20 2 0 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 8 25 2 0 0 0 0 8 30 1 0 0 0 0 9 25 1 0 0 0 0 9 31 2 0 0 0 0 10 31 1 0 0 0 0 10 48 1 0 0 0 0 10 49 1 0 0 0 0 11 31 1 0 0 0 0 11 50 1 0 0 0 0 11 51 1 0 0 0 0 12 16 1 0 0 0 0 12 20 1 0 0 0 0 12 32 1 0 0 0 0 13 15 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 17 2 0 0 0 0 14 18 1 0 0 0 0 15 23 2 0 0 0 0 15 24 1 0 0 0 0 16 35 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 17 19 1 0 0 0 0 17 38 1 0 0 0 0 18 22 2 0 0 0 0 18 39 1 0 0 0 0 19 21 2 0 0 0 0 19 25 1 0 0 0 0 21 22 1 0 0 0 0 21 26 1 0 0 0 0 22 40 1 0 0 0 0 23 27 1 0 0 0 0 23 41 1 0 0 0 0 24 28 2 0 0 0 0 24 42 1 0 0 0 0 26 30 2 0 0 0 0 27 29 2 0 0 0 0 27 43 1 0 0 0 0 28 29 1 0 0 0 0 28 44 1 0 0 0 0 29 46 1 0 0 0 0 30 45 1 0 0 0 0 M END $$$$